4-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid

HCID 15093930

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Grundinformationen

CAS: 137267-29-9
Standard-SMILES: Cc1nc(C(C)C)sc1C(=O)O
InChIKey: MLCHZLUFNGBRSL-UHFFFAOYSA-N
Summenformel: C8H11NO2S
Durchschnittliche Molmasse: 185,25 g/mol
Monoisotopische Masse: 185,05104977

Namen und Bezeichner

Bevorzugter Name: 4-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid
IUPAC: 4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
Englischer Name: 2-isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
Summenformel: C8H11NO2S
Molmasse: 185.24

Namen und Synonyme

137267-29-94-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acidDTXSID40568119RefChem:525085DTXCID60518893839-739-62-isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid2-Isopropyl-4-methylthiazole-5-carboxylic acidMFCD098644234-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid2-isopropyl-4-methyl-thiazole-5-carboxylic acid5-Thiazolecarboxylic acid, 4-methyl-2-(1-methylethyl)-

Weitere Namen anzeigen

OTAVA-BB 10880484-Methyl-2-(1-methylethyl)-5-thiazolecarboxylic acid2-isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid(SALTDATA: FREE)

SCHEMBL2478102MLCHZLUFNGBRSL-UHFFFAOYSA-NMFA26729AKOS009328985BS-35686DA-18715CS-01204842-Isopropyl-4-methylthiazole-5-carboxylicacid

Datenbank-Bezeichner

CAS: 137267-29-9
PubChem CID: 15093930
DTXSID: DTXSID40568119
EC Number: 839-739-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 78,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 184

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.